ID 6H1LA STANDARD; PRT; 457 AA. DT CONVERTED FROM PDB (SEQRES) 6H1L DE Bifunctional cytochrome P450/NADPH--P450 reductase OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.970 CC R-Factor 0.191 FT #SUB 65 65 SER A 312 312 LYS B Protein S 1 FT #SUB 65 65 SER A 380 380 GLU B Protein A 5 FT #SUB 97 97 LYS A 383 383 SER B Protein S 2 FT #SUB 101 101 ASN A 386 386 PRO B Protein S 1 FT #SUB 104 104 LEU A 365 365 THR B Protein S 1 FT #SUB 104 104 LEU A 366 366 ILE B Protein S 1 FT #SUB 104 104 LEU A 368 368 GLY B Protein S 1 FT #SUB 108 108 SER A 369 369 ASP B Protein A 3 FT #SUB 109 109 GLN A 369 369 ASP B Protein A 5 FT #SUB 243 243 PRO A 55 55 GLN B Protein A 5 FT #SUB 243 243 PRO A 59 59 LYS B Protein B 4 FT #SUB 243 243 PRO A 366 366 ILE B Protein S 1 FT #SUB 244 244 GLU A 59 59 LYS B Protein B 3 FT #SUB 244 244 GLU A 385 385 ILE B Protein S 1 FT #SUB 244 244 GLU A 386 386 PRO B Protein S 2 FT #SUB 244 244 GLU A 387 387 GLN B Protein A 14 FT #HET 26 26 VAL A 5 505 TLA A S 1 FT #HET 29 29 LEU A 5 505 TLA A S 3 FT #HET 51 51 TYR A 5 505 TLA A S 5 FT #HET 69 69 LYS A 2 502 HEM A S 6 FT #HET 74 74 ALA A 1 501 FJQ A S 1 FT #HET 74 74 ALA A 5 505 TLA A S 1 FT #HET 74 74 ALA A 7 507 EDO A S 1 FT #HET 75 75 LEU A 1 501 FJQ A S 2 FT #HET 75 75 LEU A 2 502 HEM A S 1 FT #HET 77 77 PHE A 7 507 EDO A S 1 FT #HET 78 78 VAL A 1 501 FJQ A S 1 FT #HET 82 82 PHE A 1 501 FJQ A S 10 FT #HET 86 86 LEU A 2 502 HEM A A 6 FT #HET 87 87 VAL A 1 501 FJQ A S 6 FT #HET 87 87 VAL A 2 502 HEM A A 5 FT #HET 90 90 TRP A 11 511 EDO A S 7 FT #HET 92 92 HIS A 11 511 EDO A S 5 FT #HET 96 96 TRP A 2 502 HEM A S 6 FT #HET 107 107 PHE A 2 502 HEM A S 2 FT #HET 133 133 LEU A 3 503 PO4 A S 1 FT #HET 137 137 GLU A 3 503 PO4 A A 5 FT #HET 138 138 HIS A 3 503 PO4 A A 13 FT #HET 163 163 ASN A 10 510 EDO A A 2 FT #HET 166 166 TYR A 10 510 EDO A A 6 FT #HET 167 167 ARG A 10 510 EDO A S 6 FT #HET 185 185 MET A 7 507 EDO A S 3 FT #HET 236 236 HIS A 12 512 EDO A S 2 FT #HET 239 239 ASN A 12 512 EDO A B 1 FT #HET 240 240 GLY A 12 512 EDO A B 3 FT #HET 241 241 LYS A 12 512 EDO A A 7 FT #HET 260 260 THR A 1 501 FJQ A B 1 FT #HET 261 261 PHE A 2 502 HEM A S 3 FT #HET 263 263 ILE A 1 501 FJQ A S 2 FT #HET 264 264 ALA A 1 501 FJQ A A 11 FT #HET 264 264 ALA A 2 502 HEM A A 8 FT #HET 265 265 GLY A 2 502 HEM A B 6 FT #HET 268 268 THR A 1 501 FJQ A S 4 FT #HET 268 268 THR A 2 502 HEM A A 12 FT #HET 269 269 THR A 2 502 HEM A A 3 FT #HET 272 272 LEU A 2 502 HEM A S 1 FT #HET 327 327 THR A 2 502 HEM A S 1 FT #HET 328 328 ALA A 1 501 FJQ A S 1 FT #HET 328 328 ALA A 2 502 HEM A S 2 FT #HET 328 328 ALA A 9 509 EDO A A 5 FT #HET 329 329 PRO A 8 508 EDO A S 2 FT #HET 329 329 PRO A 9 509 EDO A A 3 FT #HET 330 330 ALA A 5 505 TLA A S 1 FT #HET 330 330 ALA A 9 509 EDO A A 9 FT #HET 331 331 PHE A 2 502 HEM A S 4 FT #HET 334 334 TYR A 11 511 EDO A S 3 FT #HET 364 364 LYS A 4 504 PO4 A B 1 FT #HET 365 365 THR A 4 504 PO4 A B 1 FT #HET 366 366 ILE A 4 504 PO4 A B 5 FT #HET 366 366 ILE A 6 506 DIO A B 2 FT #HET 367 367 TRP A 4 504 PO4 A B 3 FT #HET 367 367 TRP A 6 506 DIO A A 4 FT #HET 368 368 GLY A 4 504 PO4 A B 5 FT #HET 378 378 ARG A 6 506 DIO A A 6 FT #HET 384 384 ALA A 6 506 DIO A B 4 FT #HET 385 385 ILE A 6 506 DIO A S 1 FT #HET 392 392 PRO A 2 502 HEM A B 3 FT #HET 393 393 PHE A 2 502 HEM A A 13 FT #HET 394 394 GLY A 2 502 HEM A B 3 FT #HET 398 398 ARG A 2 502 HEM A A 10 FT #HET 399 399 ALA A 2 502 HEM A B 1 FT #HET 400 400 CYS A 2 502 HEM A A 26 FT #HET 401 401 ILE A 2 502 HEM A S 2 FT #HET 402 402 GLY A 2 502 HEM A B 5 FT #HET 405 405 PHE A 2 502 HEM A S 1 FT #HET 406 406 ALA A 2 502 HEM A S 3 FT #HET 436 436 THR A 8 508 EDO A B 3 FT #HET 437 437 LEU A 1 501 FJQ A A 3 FT #HET 437 437 LEU A 7 507 EDO A S 1 FT #HET 437 437 LEU A 8 508 EDO A B 5 FT #HET 438 438 THR A 8 508 EDO A B 3 FT #HET 439 439 LEU A 8 508 EDO A S 2 FT DISORDER 1 2 FT DISORDER 190 193 CC SEQUENCE 451 AA (ATOM); CC KEMPQPKTFG ELKNLPLLNT DKPVQALMKI ADELGEIFKF EAPGRVTRYL SSQRLIKEAC CC DESRFDKNLS QALKFVRDFF GDGLVTSWTH EKNWKKAHNI LLPSFSQQAM KGYHAMMVDI CC AVQLVQKWER LNADEHIEVP EDMTRLTLDT IGLCGFNYRF NSFYRDQPHP FITSMVRALD CC EAMNKLQDDP AYDENKRQFQ EDIKVMNDLV DKIIADRKAS GEQSDDLLTH MLNGKDPETG CC EPLDDENIRY QIITFLIAGH ETTSGLLSFA LYFLVKNPHV LQKAAEEAAR VLVDPVPSYK CC QVKQLKYVGM VLNEALRLWP TAPAFSLYAK EDTVLGGEYP LEKGDELMVL IPQLHRDKTI CC WGDDVEEFRP ERFENPSAIP QHAFKPFGNG QRACIGQQFA LHEATLVLGM MLKHFDFEDH CC TNYELDIKET LTLKPEGFVV KAKSKKIPLG G CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM --KEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************ CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ************************************************** CC SEQRES NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ATOM NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ************************************************** CC SEQRES DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ATOM DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQ----DDPAYDE CC *************************************** ******* CC SEQRES NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ATOM NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ************************************************** CC SEQRES DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ATOM DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ************************************************** CC SEQRES PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ATOM PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ************************************************** CC SEQRES DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ATOM DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ************************************************** CC SEQRES IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ATOM IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ************************************************** CC SEQRES KKIPLGG CC ATOM KKIPLGG CC ******* SQ SEQUENCE 457 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLGG // ID 6H1LB STANDARD; PRT; 457 AA. DT CONVERTED FROM PDB (SEQRES) 6H1L DE Bifunctional cytochrome P450/NADPH--P450 reductase OS Bacillus megaterium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.970 CC R-Factor 0.191 FT #SUB 55 55 GLN B 243 243 PRO A Protein S 5 FT #SUB 59 59 LYS B 243 243 PRO A Protein S 4 FT #SUB 59 59 LYS B 244 244 GLU A Protein S 3 FT #SUB 312 312 LYS B 65 65 SER A Protein S 1 FT #SUB 365 365 THR B 104 104 LEU A Protein B 1 FT #SUB 366 366 ILE B 104 104 LEU A Protein B 1 FT #SUB 366 366 ILE B 243 243 PRO A Protein S 1 FT #SUB 368 368 GLY B 104 104 LEU A Protein B 1 FT #SUB 369 369 ASP B 108 108 SER A Protein S 3 FT #SUB 369 369 ASP B 109 109 GLN A Protein S 5 FT #SUB 380 380 GLU B 65 65 SER A Protein S 5 FT #SUB 383 383 SER B 97 97 LYS A Protein B 2 FT #SUB 385 385 ILE B 244 244 GLU A Protein B 1 FT #SUB 386 386 PRO B 101 101 ASN A Protein S 1 FT #SUB 386 386 PRO B 244 244 GLU A Protein B 2 FT #SUB 387 387 GLN B 244 244 GLU A Protein A 14 FT #HET 69 69 LYS B 14 502 HEM B S 4 FT #HET 74 74 ALA B 13 501 FJQ B S 1 FT #HET 75 75 LEU B 13 501 FJQ B S 2 FT #HET 75 75 LEU B 14 502 HEM B S 1 FT #HET 78 78 VAL B 13 501 FJQ B S 1 FT #HET 80 80 ASP B 20 508 PEG B B 2 FT #HET 81 81 PHE B 20 508 PEG B S 1 FT #HET 82 82 PHE B 13 501 FJQ B S 7 FT #HET 86 86 LEU B 14 502 HEM B A 6 FT #HET 87 87 VAL B 13 501 FJQ B S 5 FT #HET 87 87 VAL B 14 502 HEM B A 5 FT #HET 88 88 THR B 13 501 FJQ B S 1 FT #HET 96 96 TRP B 14 502 HEM B S 5 FT #HET 130 130 TRP B 18 506 EDO B B 2 FT #HET 131 131 GLU B 18 506 EDO B B 4 FT #HET 133 133 LEU B 15 503 PO4 B S 1 FT #HET 133 133 LEU B 18 506 EDO B A 6 FT #HET 137 137 GLU B 15 503 PO4 B A 4 FT #HET 138 138 HIS B 15 503 PO4 B A 14 FT #HET 153 153 ILE B 14 502 HEM B S 1 FT #HET 209 209 ILE B 20 508 PEG B S 1 FT #HET 212 212 MET B 20 508 PEG B S 1 FT #HET 213 213 ASN B 20 508 PEG B S 5 FT #HET 260 260 THR B 13 501 FJQ B B 1 FT #HET 261 261 PHE B 14 502 HEM B S 3 FT #HET 263 263 ILE B 13 501 FJQ B S 2 FT #HET 264 264 ALA B 13 501 FJQ B A 12 FT #HET 264 264 ALA B 14 502 HEM B A 6 FT #HET 265 265 GLY B 14 502 HEM B B 6 FT #HET 268 268 THR B 13 501 FJQ B S 4 FT #HET 268 268 THR B 14 502 HEM B A 11 FT #HET 269 269 THR B 14 502 HEM B A 3 FT #HET 272 272 LEU B 14 502 HEM B S 1 FT #HET 281 281 VAL B 19 507 EDO B A 8 FT #HET 287 287 LEU B 19 507 EDO B S 1 FT #HET 308 308 VAL B 17 505 EDO B B 2 FT #HET 309 309 LYS B 17 505 EDO B B 1 FT #HET 311 311 LEU B 17 505 EDO B B 3 FT #HET 315 315 GLY B 17 505 EDO B B 1 FT #HET 327 327 THR B 14 502 HEM B S 1 FT #HET 328 328 ALA B 13 501 FJQ B S 1 FT #HET 328 328 ALA B 14 502 HEM B S 1 FT #HET 331 331 PHE B 14 502 HEM B S 4 FT #HET 366 366 ILE B 16 504 EDO B B 1 FT #HET 367 367 TRP B 16 504 EDO B S 2 FT #HET 378 378 ARG B 16 504 EDO B B 3 FT #HET 385 385 ILE B 16 504 EDO B A 4 FT #HET 386 386 PRO B 16 504 EDO B S 1 FT #HET 392 392 PRO B 14 502 HEM B B 3 FT #HET 393 393 PHE B 14 502 HEM B A 12 FT #HET 394 394 GLY B 14 502 HEM B B 2 FT #HET 398 398 ARG B 14 502 HEM B A 9 FT #HET 399 399 ALA B 14 502 HEM B B 1 FT #HET 400 400 CYS B 14 502 HEM B A 25 FT #HET 401 401 ILE B 14 502 HEM B S 2 FT #HET 402 402 GLY B 14 502 HEM B B 4 FT #HET 405 405 PHE B 14 502 HEM B S 1 FT #HET 406 406 ALA B 14 502 HEM B S 3 FT #HET 411 411 THR B 17 505 EDO B S 6 FT #HET 423 423 PHE B 19 507 EDO B B 3 FT #HET 424 424 GLU B 19 507 EDO B A 3 FT #HET 425 425 ASP B 19 507 EDO B A 3 FT #HET 437 437 LEU B 13 501 FJQ B A 6 FT #HET 448 448 ALA B 18 506 EDO B B 2 FT #HET 449 449 LYS B 18 506 EDO B B 2 FT #HET 450 450 SER B 18 506 EDO B A 4 FT DISORDER 228 230 CC SEQUENCE 454 AA (ATOM); CC TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE CC ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV CC DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA CC LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGDDL LTHMLNGKDP CC ETGEPLDDEN IRYQIITFLI AGHETTSGLL SFALYFLVKN PHVLQKAAEE AARVLVDPVP CC SYKQVKQLKY VGMVLNEALR LWPTAPAFSL YAKEDTVLGG EYPLEKGDEL MVLIPQLHRD CC KTIWGDDVEE FRPERFENPS AIPQHAFKPF GNGQRACIGQ QFALHEATLV LGMMLKHFDF CC EDHTNYELDI KETLTLKPEG FVVKAKSKKI PLGG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ATOM TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR CC ************************************************** CC SEQRES YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ATOM YLSSQRLIKEACDESRFDKNLSQALKFVRDFFGDGLVTSWTHEKNWKKAH CC ************************************************** CC SEQRES NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ATOM NILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTL CC ************************************************** CC SEQRES DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ATOM DTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDE CC ************************************************** CC SEQRES NKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLD CC ATOM NKRQFQEDIKVMNDLVDKIIADRKASG---DDLLTHMLNGKDPETGEPLD CC *************************** ******************** CC SEQRES DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ATOM DENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVD CC ************************************************** CC SEQRES PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ATOM PVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKG CC ************************************************** CC SEQRES DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ATOM DELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRAC CC ************************************************** CC SEQRES IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ATOM IGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKS CC ************************************************** CC SEQRES KKIPLGG CC ATOM KKIPLGG CC ******* SQ SEQUENCE 457 AA; MW; CN; TIKEMPQPKT FGELKNLPLL NTDKPVQALM KIADELGEIF KFEAPGRVTR YLSSQRLIKE ACDESRFDKN LSQALKFVRD FFGDGLVTSW THEKNWKKAH NILLPSFSQQ AMKGYHAMMV DIAVQLVQKW ERLNADEHIE VPEDMTRLTL DTIGLCGFNY RFNSFYRDQP HPFITSMVRA LDEAMNKLQR ANPDDPAYDE NKRQFQEDIK VMNDLVDKII ADRKASGEQS DDLLTHMLNG KDPETGEPLD DENIRYQIIT FLIAGHETTS GLLSFALYFL VKNPHVLQKA AEEAARVLVD PVPSYKQVKQ LKYVGMVLNE ALRLWPTAPA FSLYAKEDTV LGGEYPLEKG DELMVLIPQL HRDKTIWGDD VEEFRPERFE NPSAIPQHAF KPFGNGQRAC IGQQFALHEA TLVLGMMLKH FDFEDHTNYE LDIKETLTLK PEGFVVKAKS KKIPLGG //